CID 10558984

87012-20-2

Structural Information

Molecular Formula
C9H11NS
SMILES
CC1CSC2=CC=CC=C2N1
InChI
InChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKey
OFUZAVQYAIEYET-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

165.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 130.7
[M+Na]+ 188.05044 138.5
[M-H]- 164.05394 132.4
[M+NH4]+ 183.09504 151.2
[M+K]+ 204.02438 134.5
[M+H-H2O]+ 148.05848 125.1
[M+HCOO]- 210.05942 144.5
[M+CH3COO]- 224.07507 143.3
[M+Na-2H]- 186.03589 136.1
[M]+ 165.06067 128.1
[M]- 165.06177 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe